N,N-diethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[3-(hydroxymethyl)-1-piperidyl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[3-(hydroxymethyl)-1-piperidinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[3-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-(3-methylolpiperidino)-3-nitro-benzenesulfonamide Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)CO)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)CO)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O5S/c1-3-18(4-2)25(23,24)14-7-8-15(16(10-14)19(21)22)17-9-5-6-13(11-17)12-20/h7-8,10,13,20H,3-6,9,11-12H2,1-2H3